pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate

C26H34N4O9S — CID 70274416

IUPACpentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
SMILESCCC(CC)OC(=O)CNC(=O)Oc1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C26H34N4O9S/c1-6-19(7-2)38-22(31)16-28-26(34)39-24-21(37-5)14-18(15-27-24)23(32)29-40(35,36)20-12-10-17(11-13-20)25(33)30(8-3)9-4/h10-15,19H,6-9,16H2,1-5H3,(H,28,34)(H,29,32)
InChIKeyIEUCILFJQJHSAU-UHFFFAOYSA-N
MW578.64 g/mol
LogP2.51
Rot. Bonds13

About pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate

pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate (PubChem CID 70274416) has the molecular formula C26H34N4O9S and a molecular weight of 578.64 g/mol. Its IUPAC name is pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate.

Molecular Properties

Compound Namepentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
PubChem CID70274416
Molecular FormulaC26H34N4O9S
Molecular Weight578.64 g/mol
Exact Mass578.20
IUPAC Namepentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
SMILESCCC(CC)OC(=O)CNC(=O)Oc1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C26H34N4O9S/c1-6-19(7-2)38-22(31)16-28-26(34)39-24-21(37-5)14-18(15-27-24)23(32)29-40(35,36)20-12-10-17(11-13-20)25(33)30(8-3)9-4/h10-15,19H,6-9,16H2,1-5H3,(H,28,34)(H,29,32)
InChIKeyIEUCILFJQJHSAU-UHFFFAOYSA-N
XLogP2.51
TPSA170.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.64
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate with MolForge

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Related Compounds

2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid
CID 67686354
[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-[(2,5-dimethylphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 67791636
ethyl 2-[[5-(hexadecylsulfonylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 70276197
[5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749317
[5-[[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749323
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
pentan-3-yl [5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749243
ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 22363167
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712587
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
[5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212108

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate?
The IUPAC name of pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate (CID 70274416) is pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate.
What is the SMILES notation for pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate?
The canonical SMILES for pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate is CCC(CC)OC(=O)CNC(=O)Oc1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1OC.
What is the InChIKey of pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate?
The InChIKey is IEUCILFJQJHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O9S/c1-6-19(7-2)38-22(31)16-28-26(34)39-24-21(37-5)14-18(15-27-24)23(32)29-40(35,36)20-12-10-17(11-13-20)25(33)30(8-3)9-4/h10-15,19H,6-9,16H2,1-5H3,(H,28,34)(H,29,32).
What are the key properties of pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate?
pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate has a molecular weight of 578.64 g/mol, XLogP of 2.51, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate is sourced from PubChem (CID 70274416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).